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Purmorphamine 10mg

CAT: 0628-A11480-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A11480-10Size:10 mg
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CAS Number
483367-10-8

Chemical Information

Purmorphamine

Purmorphamine is a member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group. It has a role as a SMO receptor agonist and an osteogenesis regulator. It is a member of purines, an aromatic ether, a member of morpholines and a secondary amino compound. It derives from a hydride of a 9H-purine.

CAS Number483367-10-8
PubChem CID5284329
IUPAC Name9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
Molecular FormulaC31H32N6O2
Molecular Weight520.6
XLogP6.5
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity768
SMILES
C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7
InChI
InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)
InChIKey
FYBHCRQFSFYWPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Purmorphamine
CAS: 483367-10-8
CID: 5284329
Formula: C31H32N6O2
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass520.25867428
Monoisotopic Mass520.25867428
Topological Polar Surface Area77.3 Ų
Heavy Atom Count39
Formal Charge0
Complexity768
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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